{"id":14645,"date":"2026-04-25T00:17:38","date_gmt":"2026-04-24T15:17:38","guid":{"rendered":"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/frombrog\/hina-2-11"},"modified":"2026-04-25T23:14:05","modified_gmt":"2026-04-25T14:14:05","slug":"11865-2","status":"publish","type":"page","link":"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/frombrog\/11865-2","title":{"rendered":"\u30a4\u30aa\u30f3\u6db2\u4f53\u3084\u6df1\u5171\u6676\u6eb6\u5a92(DES)\u306e\u7269\u6027\u63a8\u7b97\u3068\u9006\u8a2d\u8a08"},"content":{"rendered":"\n<link rel=\"stylesheet\" href=\"https:\/\/www.pirika.com\/Images20\/TT.css\">\n<link rel=\"stylesheet\" href=\"https:\/\/www.pirika.com\/Images20\/title.css\">\n\n<p align=\"right\">2026.4.24(\u30aa\u30ea\u30b8\u30ca\u30eb2026\u5e741\u670814\u65e5)<\/p>\n\n<iframe src=\"https:\/\/www.pirika.com\/title21.html\" width=\"100%\" id=\"inner-flame\"><\/iframe>\n\n\n\n<p><a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/frombrog\">\u30d6\u30ed\u30b0\u304b\u3089\u79fb\u52d5\u3068\u308a\u3042\u3048\u305a<\/a><\/p>\n\n\n\n<p>\u30a4\u30aa\u30f3\u6db2\u4f53\u306e\u30a4\u30aa\u30f3\u4f1d\u5c0e\u5ea6(IC)\u3068\u7c98\u5ea6\u306e\u63a8\u7b97\u306b\u95a2\u3057\u3066\u6614\u8ad6\u6587\u3092\u66f8\u3044\u305f\u3002<br><em><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/jp073839a\">J. Phys. Chem. C<\/a>, Vol. 111, No. 43, 2007&nbsp;<\/em><br><a href=\"https:\/\/www.jstage.jst.go.jp\/article\/jcac\/7\/0\/7_0_18\/_pdf\"><strong>Journal of Computer Aided Chemistry , Vol.7, 18-29&nbsp;<\/strong>(<strong>2006<\/strong>)&nbsp;<\/a><\/p>\n\n\n\n<h2 class=\"wp-block-heading\">\u7269\u6027\u63a8\u7b97\u3068\u9006\u8a2d\u8a08<br>\u69cb\u9020\u304b\u3089\u7269\u6027\u3078\u30fc\u7269\u6027\u304b\u3089\u69cb\u9020\u3078<\/h2>\n\n\n\n<p>\u6771\u4eac\u5927\u5b66\u3001\u4fef\u77b0\u74b0\u5883\u5de5\u5b66\u5bc4\u4ed8\u8b1b\u5ea7\uff1a\u516c\u958b\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\u30002007.2.6<br>\u3067\u767a\u8868\u3057\u3066\u3044\u308b\u3002<br><br>\u6982\u8981\u3092\u8aac\u660e\u3057\u3088\u3046\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">MOPAC\u3092\u4f7f\u3063\u3066MO\u8a08\u7b97\u3059\u308b<\/h2>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-18.png\"><img loading=\"lazy\" decoding=\"async\" width=\"365\" height=\"181\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-18.png\" alt=\"\" class=\"wp-image-11866\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-18.png 365w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-18-300x149.png 300w\" sizes=\"auto, (max-width: 365px) 85vw, 365px\" \/><\/a><\/figure>\n\n\n\n<p>\u3053\u306eMO\u306e\u7d50\u679c\u3092\u7528\u3044\u3066\u30a4\u30aa\u30f3\u6db2\u4f53\u306e\u7269\u6027\u5024\u3092\u8a08\u7b97\u3059\u308b\u3002<br>Viscosity, Ionic Conductivity, Density, Thermal stability, Yield(\u53cd\u5fdc\u6eb6\u5a92\u306b\u4f7f\u3046\u5834\u5408\uff09\u306a\u3069\u3092\u30bf\u30fc\u30b2\u30c3\u30c8\u306b\u3057\u305f\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">\u591a\u9805\u5f0f\u5c55\u958b\u6cd5<\/h2>\n\n\n\n<p>\u73fe\u5728\u306f<a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/cheminfo\/chemo-info\/mirai\">MIRAI\u6cd5<\/a>\u3068\u547c\u3093\u3067\u3044\u308b\u3002LLC: pirika.com\u793e\u88fd\u306e\u30bd\u30d5\u30c8\u30a6\u30a8\u30a2\u30fc\u3060\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-19.png\"><img loading=\"lazy\" decoding=\"async\" width=\"674\" height=\"524\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-19.png\" alt=\"\" class=\"wp-image-11867\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-19.png 674w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-19-300x233.png 300w\" sizes=\"auto, (max-width: 674px) 85vw, 674px\" \/><\/a><\/figure>\n\n\n\n<p>MIRAI\u6cd5\u3092\u4f7f\u3046\u3068\u3001\u7269\u6027\u5024\u306b\u4e0e\u3048\u308b\u30b0\u30eb\u30fc\u30d7\u3054\u3068\u306e\u5f71\u97ff\u3092\u8a55\u4fa1\u3067\u304d\u308b\u3002<br>\u4f8b\u3048\u3070\u30a4\u30aa\u30f3\u4f1d\u5c0e\u5ea6\u306b\u95a2\u3057\u3066\u6b21\u306e\u3088\u3046\u306a\u5f0f\u304c\u69cb\u7bc9\u3067\u304d\u308b\u3002<br><br>\u30a4\u30aa\u30f3\u4f1d\u5c0e\u5ea6= Const1+Const2*(<br>POWER((\u6e29\u5ea6*0.00926+1),9.094) * <br>POWER((\u30c0\u30a4\u30dd\u30fc\u30eb\u30e2\u30fc\u30e1\u30f3\u30c8*-0.0149+1),8.367)*<br>POWER((LUMO\u52b9\u679c) * <br>POWER((\u8868\u9762\u7a4d*3.765+1),-0.818)*<br>POWER((Ovality*1.356+1),5.813)*<br>POWER((\u7a92\u7d20\u96fb\u8377\u52b9\u679c)*<br>POWER(\u30a2\u30cb\u30aa\u30f3\u52b9\u679c)&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;Eq.(4)&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;<br><\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-20.png\"><img loading=\"lazy\" decoding=\"async\" width=\"671\" height=\"296\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-20.png\" alt=\"\" class=\"wp-image-11868\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-20.png 671w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-20-300x132.png 300w\" sizes=\"auto, (max-width: 671px) 85vw, 671px\" \/><\/a><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u30a4\u30aa\u30f3\u4f1d\u5c0e\u5ea6\u306e\u6e29\u5ea6\u4f9d\u5b58\u6027<\/h2>\n\n\n\n<p>4\u5f0f\u3067<br>\u6e29\u5ea6\u52b9\u679c\uff1aPOWER((\u6e29\u5ea6*0.00926+1),9.094) <br>\u6e29\u5ea6\u52b9\u679c\uff1aPOWER(\u30a2\u30cb\u30aa\u30f3\u52b9\u679c)&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;<br>\u3092\u4f7f\u3044EMI\u7cfb\u306e\u30a4\u30aa\u30f3\u6db2\u4f53\u306e\u30a4\u30aa\u30f3\u4f1d\u5c0e\u5ea6\u3092\u8a08\u7b97\u3057\u3066\u8ad6\u6587\u306e\u5024\u3068\u6bd4\u8f03\u3057\u3066\u307f\u305f\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-22.png\"><img loading=\"lazy\" decoding=\"async\" width=\"720\" height=\"462\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-22.png\" alt=\"\" class=\"wp-image-11870\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-22.png 720w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-22-300x193.png 300w\" sizes=\"auto, (max-width: 720px) 85vw, 720px\" \/><\/a><\/figure>\n\n\n\n<p>\u3046\u307e\u304f\u63a8\u7b97\u3067\u304d\u3066\u3044\u305f\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">\u30a4\u30aa\u30f3\u6db2\u4f53\u306e\u7c98\u5ea6\u63a8\u7b97<\/h2>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-23.png\"><img loading=\"lazy\" decoding=\"async\" width=\"685\" height=\"527\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-23.png\" alt=\"\" class=\"wp-image-11872\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-23.png 685w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-23-300x231.png 300w\" sizes=\"auto, (max-width: 685px) 85vw, 685px\" \/><\/a><\/figure>\n\n\n\n<p>MIRAI\u6cd5\u306e\u7279\u5fb4\u306f\u3001\u30a2\u30cb\u30aa\u30f3\u306e\u52b9\u679c\u3068\u8a00\u3063\u305f\u6642\u306b\u3001\u30a2\u30cb\u30aa\u30f3\u306fpower\u95a2\u6570\u306e\u4e2d\u306b\uff11\u6b21\u306e\u7dda\u578b\u7d50\u5408\u306e\u5f62\u3067\u5165\u308b\u3002\u305d\u306e\u5404\u3005\u306e\u4fc2\u6570\u3092\u30d5\u30a3\u30fc\u30c9\u30fb\u30d5\u30a9\u30ef\u30fc\u30c9\u6cd5\u3067\u6c7a\u3081\u3066\u3044\u304f\u3002<br>\uff08\u3055\u3082\u306a\u3044\u3068\u7269\u6027\u5024\u306b\u30a8\u30e9\u30fc\u306e\u3042\u308b\u7cfb\u3067\u306f\u5408\u3044\u304c\u60aa\u304f\u306a\u308b\uff09<\/p>\n\n\n\n<p>\u30a2\u30cb\u30aa\u30f3\u304c\u5927\u304d\u304f\u306a\u308b\u306b\u3064\u308c\u7c98\u5ea6\u306f\u4e0b\u304c\u308b\u3002<br>\u3057\u304b\u3057\u3001\u7279\u306bBF4\u306f\u5206\u5b50\u304c\u5c0f\u3055\u3044\u306b\u3082\u95a2\u308f\u3089\u305a\u3001\u4f4e\u7c98\u5ea6\u5316\u3057\u3066\u3044\u308b\u3002<br>EMI-BF<sub>4<\/sub>&nbsp;\u306e\u7cfb\u306b\u306f\u4f55\u304b\u672a\u77e5\u306e\u52b9\u679c\u304c\u5f71\u97ff\u3057\u3066\u3044\u308b\u4e8b\u304c\u793a\u5506\u3055\u308c\u308b\u3002<br>\u3053\u308c\u304c\u308f\u304b\u308b\u3053\u3068\u304c\u3001\u63a8\u7b97\u5f0f\u3092\u4f5c\u308b\u91cd\u8981\u306a\u610f\u5473\u3060\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full is-resized\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-26.png\"><img loading=\"lazy\" decoding=\"async\" width=\"237\" height=\"209\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-26.png\" alt=\"\" class=\"wp-image-11875\" style=\"width:370px;height:auto\"\/><\/a><\/figure>\n\n\n\n<p>EMI-BF<sub>4<\/sub>\u306e\u878d\u70b9\u306f13-15\u2103\u3068\u3055\u308c\u3066\u3044\u308b\u3002\u5f93\u3063\u3066\u7c98\u5ea6\u306fTm\u306b\u8fd1\u3065\u304f\u306b\u3064\u308c\u6025\u306b\u5897\u52a0\u3059\u308b\u3002\u7c98\u5ea6\u3068\u30a4\u30aa\u30f3\u4f1d\u5c0e\u5ea6\u306e\u95a2\u4fc2\u304c<strong>\u30ef\u30eb\u30c7\u30f3\u30d7\u30ed\u30c3\u30c8<\/strong>\u3067\u3042\u308b\u3068\u3059\u308b\u3068\u30a4\u30aa\u30f3\u4f1d\u5c0e\u5ea6\u306fTm\u306b\u8fd1\u3065\u304f\u306b\u3064\u308c\u6025\u6fc0\u306b\u6e1b\u5c11\u3057\u306a\u3051\u308c\u3070\u306a\u3089\u306a\u3044\u3002\u3068\u3053\u308d\u304c\u5b9f\u969b\u306f\u56f3\u306b\u793a\u3059\u3088\u3046\u306b\uff0c\u30a4\u30aa\u30f3\u4f1d\u5c0e\u5ea6\u306f\u878d\u70b9\u306e\u5f71\u97ff\u3092\u5168\u304f\u53d7\u3051\u305a\u306b\u6e29\u5ea6\u306b\u5bfe\u3057\u3066\u76f4\u7dda\u7684\u306b\u5909\u5316\u3059\u308b\u3002\u305d\u3053\u3067\u6eb6\u3051\u304b\u3051\u306e\u30b7\u30e3\u30fc\u30d9\u30c3\u30c8\u30e2\u30c7\u30eb\u3092\u63d0\u6848\u3057\u3066\u3044\u308b\u3002\u5f0f\u3092\u7acb\u3066\u3001\u5f0f\u306b\u4e57\u3089\u306a\u3044\u3082\u306e\u306b\u4fa1\u5024\u304c\u3042\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">Ovality\u306e\u52b9\u679c<\/h2>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-24.png\"><img loading=\"lazy\" decoding=\"async\" width=\"677\" height=\"462\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-24.png\" alt=\"\" class=\"wp-image-11873\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-24.png 677w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-24-300x205.png 300w\" sizes=\"auto, (max-width: 677px) 85vw, 677px\" \/><\/a><\/figure>\n\n\n\n<p>\u30ab\u30c1\u30aa\u30f3\u306e\u5f62\u72b6\u304c\u7403\u306b\u8fd1\u3065\u304f\u306b\u3064\u308c\u7c98\u5ea6\u306f\u3042\u304c\u308b\u3002Na+\u306f\u5b8c\u5168\u306a\u7403\u306a\u306e\u3067Ovality\u306f1\u3060\u3002\u5316\u5408\u7269(\u9752)\u306e\u5206\u5b50\u4f53\u7a4d\u3068\u5206\u5b50\u8868\u9762\u7a4d\u3092\u8a08\u7b97\u3059\u308b\u3002\u305d\u306e\u5206\u5b50\u8868\u9762\u7a4d\u3068\u540c\u3058\u306b\u306a\u308b\u771f\u7403\uff08\u8d64\uff09\u306e\u4f53\u7a4d\u3092\u8003\u3048\u308b\u3002\u305d\u306e\u4f53\u7a4d\u306e\u6bd4\u304cOvality\u306e\u5b9a\u7fa9\u306b\u306a\u308b\u3002<br>\u5206\u5b50\u4f53\u7a4d\u306f\u5206\u5b50\u91cf\u3068\u5bc6\u5ea6\u304b\u3089\u3082\u8a08\u7b97\u3067\u304d\u308b\u3002\u5206\u5b50\u8868\u9762\u7a4d\u306f\u76f4\u63a5\u7b97\u51fa\u3059\u308b\u65b9\u6cd5\u304c\u306a\u304b\u3063\u305f\u3002\u5206\u5b50\u306e\u8868\u9762\u306b\u30d7\u30ed\u30fc\u30d6\u3092\u8ee2\u304c\u3057\u3066\u5206\u5b50\u8868\u9762\u7a4d\u3092\u8a08\u7b97\u3059\u308b\u65b9\u6cd5\u304cMOPAC\u306b\u642d\u8f09\u3055\u308c\u305f\u306e\u306f\u5b09\u3057\u304b\u3063\u305f\u3002\u73fe\u5728\u306f\u3001AI\u306b\u300c\u5206\u5b50\u8868\u9762\u7a4d\u3092\u8a08\u7b97\u3059\u308b\u5f0f\u3092\u4f5c\u3063\u3066\u300d\u3068\u8a00\u3048\u3070\u4f5c\u3063\u3066\u304f\u308c\u308b\u3002\u826f\u3044\u6642\u4ee3\u306b\u306a\u3063\u305f\u306a\u3002<br>\u3053\u306eOvality\u306f\u69d8\u3005\u306a\u7269\u6027\u63a8\u7b97\u3067\u3068\u3066\u3082\u91cd\u8981\u306a\u30d1\u30e9\u30e1\u30fc\u30bf\u306b\u306a\u308b\u3002pirika.com\u306e\u63a8\u7b97\u5f0f\u3067\u306f\u591a\u7528\u3057\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">\u30c0\u30a4\u30dd\u30fc\u30eb\u30e2\u30fc\u30e1\u30f3\u30c8\u3068\u5206\u5b50\u8868\u9762\u7a4d\u306e\u52b9\u679c<\/h2>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-25.png\"><img loading=\"lazy\" decoding=\"async\" width=\"713\" height=\"443\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-25.png\" alt=\"\" class=\"wp-image-11874\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-25.png 713w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2026\/01\/image-25-300x186.png 300w\" sizes=\"auto, (max-width: 713px) 85vw, 713px\" 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class=\"wp-block-heading\">\u524d\u632f\u308a\u304c\u9577\u3059\u304e\u305f\u304c<\/h2>\n\n\n\n<p>ChemDraw\u306b\u4ed8\u5c5e\u306eMOPAC\u306fMac\u3067\u306f\u4f7f\u3048\u306a\u304f\u306a\u3063\u305f\u3002MOPAC\u306f2016\u3050\u3089\u3044\u304b\u3089\u8ca9\u58f2\u3055\u308c\u3066\u3044\u305f\u304c\u3001\u3068\u3066\u3082\u9ad8\u4fa1\u3067\u500b\u4eba\u3067\u6301\u3066\u308b\u3088\u3046\u306a\u3082\u306e\u3067\u306f\u7121\u304f\u306a\u3063\u3066\u3057\u307e\u3063\u305f\u3002<br>\u8db3\u304c\u9060\u306e\u3044\u3066\u3044\u305f\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">Open MOPAC<\/h2>\n\n\n\n<p>MOPAC\u304cOpen\u5316\u3055\u308c\u3066\u30bd\u30d5\u30c8\u3092\u30c0\u30a6\u30f3\u30ed\u30fc\u30c9\u3067\u304d\u308b\u3088\u3046\u306b\u306a\u3063\u305f\u306e\u306f\u5b09\u3057\u3044\u3002\u3068\u3053\u308d\u304c\u52d5\u304f\u306e\u306fIntel\u306eCPU\u3060\u3051\u3060\u3063\u305f\u3002\u3055\u3044\u3054\u306eIntel Mac \u306f\u30ad\u30fc\u30c9\u30fc\u30c9\u306b\u30b3\u30fc\u30d2\u30fc\u3092\u98f2\u307e\u305b\u3066\u3057\u307e\u3063\u305f\u3002\uff08\u6db2\u6676\u304c\u30a4\u30ab\u308c\u3066\u3044\u308b\u304c\u5916\u90e8\u30e2\u30cb\u30bf\u30fc\u306b\u7e4b\u3052\u3070\u4f7f\u3048\u308b\u3002\u3082\u30fcOS\u3068\u304b\u30b5\u30dd\u30fc\u30c8\u3055\u308c\u3066\u3044\u306a\u3044\u3051\u3069\uff09<br><br>\u6628\u65e5\u3060\u304b\u306b\u3001\u300cApple silicone\u3067\u52d5\u304fMOPAC\u306f\u7121\u3044\u304b\uff1f\u300dAI\u306b\u805e\u3044\u3066\u307f\u305f\u3002<br>Rosette \u4f7f\u3048\u3070\u52d5\u304d\u307e\u3059\u3088\u3068\u512a\u3057\u304f\u6559\u3048\u3066\u304f\u308c\u305f\u3002<\/p>\n\n\n\n<p>\u3044\u3084\u30fc\u3001\u7c21\u5358\u306bMac\u3067\u3082Windows\u3067\u3082MOPAC\u304c\u52d5\u304f\u3088\u3046\u306b\u306a\u3063\u305f\u3002<br>\u3053\u308c\u304c\u3067\u304d\u308b\u3068\u3001YMB\u3067\u306e\u8a08\u7b97\u306bMOPAC\u306e\u7d50\u679c\u3092\u53d6\u308a\u8fbc\u3080\u3053\u3068\u304c\u53ef\u80fd\u306b\u306a\u308a\u305d\u3046\u3060\u3002<br>\uff08\u591a\u5206\u3001AI\u304c\u3084\u308a\u65b9\u3092\u6559\u3048\u3066\u304f\u308c\u308b\u306b\u9055\u3044\u306a\u3044\uff09<br><br>\u3061\u3083\u3093\u3068MOPAC\u304c\u52d5\u304f\u304b\u3001HD\u306e\u80a5\u6e9c\u3081\u3092\u63a2\u3057\u305f\u3089\u30a4\u30aa\u30f3\u6db2\u4f53\u306e\u8a08\u7b97\u7d50\u679c\u304c\u305f\u3093\u307e\u308a\u51fa\u3066\u304d\u305f\u3002<br>\u30a4\u30aa\u30f3\u6db2\u4f53\u3084\u6df1\u5171\u6676\u6eb6\u5a92(DES)\u306e\u7814\u7a76\u30ea\u30b9\u30bf\u30fc\u30c8\u3060\u3002<br>\u3053\u308c\u307e\u3067\u81ea\u4f5c\u306eCNDO\/2\u3067\u9811\u5f35\u3063\u3066\u304d\u305f\u3053\u3068\u304cMOPAC\u3067\u3067\u304d\u308b\u3002<br><br>\u826f\u3044\u6642\u4ee3\u306b\u306a\u3063\u305f\u306a\u3002<br><br>AI\u3088\u3002MOPAC\u8a08\u7b97\u3092\u30b5\u30d6\u30df\u30c3\u30c8\u3057\u3066\u7d50\u679c\u3092\u30c6\u30fc\u30d6\u30eb\u306b\u307e\u3068\u3081\u308b\u30d7\u30ed\u30b0\u30e9\u30e0\u306e\u4f5c\u6210\u3092\u624b\u4f1d\u3063\u3066\u304f\u308c\u3002<\/p>\n\n\n\n<div class=\"wp-block-jetpack-markdown\"><hr>\n<\/div>\n\n\n\n<p>Copyright pirika.com since 1999-<br>Mail: yamahiro<span class=\"tadv-color\" style=\"color:#ff675f\">X<\/span>pirika.com (<span class=\"tadv-color\" style=\"color:#ff675f\">X<\/span>\u3092@\u306b\u7f6e\u304d\u63db\u3048\u3066\u304f\u3060\u3055\u3044) <br>\u30e1\u30fc\u30eb\u306e\u4ef6\u540d\u306f[pirika]\u3067\u59cb\u3081\u3066\u304f\u3060\u3055\u3044\u3002<\/p>\n\n\n\n<p><\/p>\n","protected":false},"excerpt":{"rendered":"<p>2026.4.24(\u30aa\u30ea\u30b8\u30ca\u30eb2026\u5e741\u670814\u65e5) \u30d6\u30ed\u30b0\u304b\u3089\u79fb\u52d5\u3068\u308a\u3042\u3048\u305a \u30a4\u30aa\u30f3\u6db2\u4f53\u306e\u30a4\u30aa\u30f3\u4f1d\u5c0e\u5ea6(IC)\u3068\u7c98\u5ea6\u306e\u63a8\u7b97\u306b\u95a2\u3057\u3066\u6614\u8ad6\u6587\u3092\u66f8\u3044\u305f\u3002J. Phys. Chem. C, Vol. 111, No. 43,  &hellip; <a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/frombrog\/11865-2\" class=\"more-link\"><span class=\"screen-reader-text\">&#8220;\u30a4\u30aa\u30f3\u6db2\u4f53\u3084\u6df1\u5171\u6676\u6eb6\u5a92(DES)\u306e\u7269\u6027\u63a8\u7b97\u3068\u9006\u8a2d\u8a08&#8221; \u306e<\/span>\u7d9a\u304d\u3092\u8aad\u3080<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":14517,"menu_order":10,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_locale":"ja","_original_post":"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/frombrog\/hina","footnotes":""},"class_list":["post-14645","page","type-page","status-publish","hentry","ja"],"jetpack_sharing_enabled":true,"_links":{"self":[{"href":"https:\/\/www.pirika.com\/wp\/wp-json\/wp\/v2\/pages\/14645","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.pirika.com\/wp\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.pirika.com\/wp\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.pirika.com\/wp\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.pirika.com\/wp\/wp-json\/wp\/v2\/comments?post=14645"}],"version-history":[{"count":1,"href":"https:\/\/www.pirika.com\/wp\/wp-json\/wp\/v2\/pages\/14645\/revisions"}],"predecessor-version":[{"id":14694,"href":"https:\/\/www.pirika.com\/wp\/wp-json\/wp\/v2\/pages\/14645\/revisions\/14694"}],"up":[{"embeddable":true,"href":"https:\/\/www.pirika.com\/wp\/wp-json\/wp\/v2\/pages\/14517"}],"wp:attachment":[{"href":"https:\/\/www.pirika.com\/wp\/wp-json\/wp\/v2\/media?parent=14645"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}